4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y205-2339 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 384.39 |
| Molecular Formula: | C19 H20 N4 O5 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5754 |
| logD: | 1.3955 |
| logSw: | -3.1002 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.745 |
| InChI Key: | ZGYRFDKWUFVMBI-UHFFFAOYSA-N |